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Fragmentation of 2,5-Diketopiperazine Cyclic Dipeptide Ions

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Abstract

The mechanism of radiation damage to 2,5-diketopiperazine (DKP, C4H6N2O2) molecules in the gas phase upon interaction with He2+ ions with an energy Ep = 4 keV/u has been investigated. The relative cross sections of various elementary processes occurring in single collisions of DKP with ions have been measured for the first time. The channels of fragmentation processes of singly charged ions have been studied experimentally. The DFT method was used to calculate the geometry of molecules and singly charged DKP ions, as well as the energies of the main experimentally observed channels of fragmentation of these ions.

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ACKNOWLEDGMENTS

Calculations were performed using the computational resources of the Resource Center Computational Center of the Saint Petersburg State University (http://cc.spbu.ru).

Funding

The work has been performed under the state assignment topic no. 0040-2019-0023.

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Authors and Affiliations

  1. Ioffe Institute, St. Petersburg, Russia

    A. A. Basalaev, V. V. Kuz’michev, M. N. Panov & O. V. Smirnov

  2. Saint Petersburg State University, Institute of Chemistry, St. Petersburg, Russia

    A. V. Petrov

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  1. A. A. Basalaev
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  2. V. V. Kuz’michev
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  3. M. N. Panov
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  4. A. V. Petrov
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  5. O. V. Smirnov
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Correspondence to A. A. Basalaev.

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Basalaev, A.A., Kuz’michev, V.V., Panov, M.N. et al. Fragmentation of 2,5-Diketopiperazine Cyclic Dipeptide Ions. Tech. Phys. 68, 539–544 (2023). https://doi.org/10.1134/S1063784223080054

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